6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C23H17N3O — CID 59572790

IUPAC6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)Oc1cccnc1N2c1ccccc1-c1ccccc1
InChIInChI=1S/C23H17N3O/c1-16-14-21-23(25-15-16)26(22-20(27-21)12-7-13-24-22)19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-15H,1H3
InChIKeyKOJBDXQWTGRNIN-UHFFFAOYSA-N
MW351.41 g/mol
LogP6.03
Rot. Bonds2

About 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 59572790) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID59572790
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)Oc1cccnc1N2c1ccccc1-c1ccccc1
InChIInChI=1S/C23H17N3O/c1-16-14-21-23(25-15-16)26(22-20(27-21)12-7-13-24-22)19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-15H,1H3
InChIKeyKOJBDXQWTGRNIN-UHFFFAOYSA-N
XLogP6.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene with MolForge

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Related Compounds

2-(2-methoxyphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573551
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573562
2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573057
6,14-dimethyl-2-(2-phenylphenyl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
CID 59573126
2-(2-methoxyphenyl)-6,12-dimethyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573004
3,7-dimethyl-10-(2-phenylphenyl)phenoxazine
CID 59573736
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-9-oxa-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 59573178
2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 59573371
6-methyl-2-(2-methylphenyl)-2,4,9,10,15-pentazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 59572319
4-phenyl-6-(6-pyridin-2-yl-2-pyridinyl)quinolino[3,2-b][1,4]benzoxazine
CID 140690498
10-(2-pyridin-4-ylphenyl)phenoxazine
CID 175717759
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]phenoxazine
CID 153459557

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 59572790) is 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is Cc1cnc2c(c1)Oc1cccnc1N2c1ccccc1-c1ccccc1.
What is the InChIKey of 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is KOJBDXQWTGRNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-16-14-21-23(25-15-16)26(22-20(27-21)12-7-13-24-22)19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-15H,1H3.
What are the key properties of 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 351.41 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenylphenyl)-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59572790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).